SCHEMBL3861933

SCHEMBL3861933

O=Cc1nc2ccccn2c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.51
KDM4E B2RXH2 7/20 0.49
MAPT P10636 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 5/20 0.47
NPC1 O15118 3/20 0.47
GLA P06280 3/20 0.47
HSD17B10 Q99714 2/20 0.47
HPGD P15428 2/20 0.47
CASP1 P29466 1/20 0.47
CASP7 P55210 1/20 0.47
RAB9A P51151 2/20 0.44
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9925517 0.79 KDM4E (0.47) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL22519132 0.79 KDM4E (0.55) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL29953452 0.79 PTGS1 (0.54) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL13456146 0.79 KDM4E (0.47) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL870880 0.79 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL31423761 0.78 HSD17B10 (0.50) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL28570789 0.76 HSP90AA1 (0.47) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL3315853 0.75 KDM4E (0.56) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL13144230 0.75 ALDH1A1 (0.44) ALDH1A1KDM4EMAPTNPSR1GAA
SCHEMBL890634 0.75 MAPT (0.55) ALDH1A1KDM4EMAPTNPSR1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 US disclosed
US-11780837-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2023-10-10 US disclosed
US-11306088-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2022-04-19 US disclosed
EP-3808748-A1 SUBSTITUTED PIPERIDINES AS CXCR4-INHIBITORS X4 Pharmaceuticals, Inc. (US) 2021-04-21 EP disclosed
US-20210047320-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2021-02-18 US disclosed
EP-3471727-B1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS INC (US) 2020-12-09 EP disclosed
US-10759796-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2020-09-01 US disclosed
US-20200123150-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2020-04-23 US disclosed
EP-1984376-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-08 EP disclosed
EP-1984376-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-10-29 EP disclosed
WO-2007087549-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10759796-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 ALDH1A1 1512/4885KDM4E 3366/4885MAPT 4104/4885
US-20210047320-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 ALDH1A1 1512/4885KDM4E 3366/4885MAPT 4104/4885
US-11780837-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 ALDH1A1 1512/4885KDM4E 3366/4885MAPT 4104/4885
US-20200123150-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 ALDH1A1 1512/4885KDM4E 3366/4885MAPT 4104/4885
US-11306088-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 ALDH1A1 1512/4885KDM4E 3366/4885MAPT 4104/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.